2-(furan-2-yl)imidazo[1,2-a]pyridin-3-amine

• ChemBase ID: 235971
• Molecular Formular: C11H9N3O
• Molecular Mass: 199.20866
• Monoisotopic Mass: 199.07456192
• SMILES: c1(c(n2c(n1)cccc2)N)c1occc1
• Canonical SMILES: Nc1c(nc2n1cccc2)c1ccco1
• InChI: InChI=1S/C11H9N3O/c12-11-10(8-4-3-7-15-8)13-9-5-1-2-6-14(9)11/h1-7H,12H2
• InChIKey: QCRHHPVVTXYCGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)imidazo[1,2-a]pyridin-3-amine
• IUPAC Traditional name: 2-(furan-2-yl)imidazo[1,2-a]pyridin-3-amine
• Synonyms: 2-(furan-2-yl)imidazo[1,2-a]pyridin-3-amine

Database IDs

• MDL Number: MFCD00448036
• PubChem SID: 164291881
• PubChem CID: 1240493

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.2063206
• LogD (pH = 7.4): 1.0670154
• Log P: 1.1132368
• Molar Refractivity: 57.0452 cm^3
• Polarizability: 22.245596 Å^3
• Polar Surface Area: 56.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 165 - 167°C
• Hydrophobicity(logP): 2.588

Product Information

• Purity: 95%